10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol

C13H26O6 — CID 15474960

IUPAC10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
SMILESCC1(C)COCC(O)COCCOCC(O)COC1
InChIInChI=1S/C13H26O6/c1-13(2)9-18-7-11(14)5-16-3-4-17-6-12(15)8-19-10-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyOOCJELRKRQGVGR-UHFFFAOYSA-N
MW278.35 g/mol
LogP-0.19
Rot. Bonds

About 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol

10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol (PubChem CID 15474960) has the molecular formula C13H26O6 and a molecular weight of 278.35 g/mol. Its IUPAC name is 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol.

Molecular Properties

Compound Name10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
PubChem CID15474960
Molecular FormulaC13H26O6
Molecular Weight278.35 g/mol
Exact Mass278.17
IUPAC Name10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol
SMILESCC1(C)COCC(O)COCCOCC(O)COC1
InChIInChI=1S/C13H26O6/c1-13(2)9-18-7-11(14)5-16-3-4-17-6-12(15)8-19-10-13/h11-12,14-15H,3-10H2,1-2H3
InChIKeyOOCJELRKRQGVGR-UHFFFAOYSA-N
XLogP-0.19
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol?
The IUPAC name of 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol (CID 15474960) is 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol.
What is the SMILES notation for 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol?
The canonical SMILES for 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol is CC1(C)COCC(O)COCCOCC(O)COC1.
What is the InChIKey of 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol?
The InChIKey is OOCJELRKRQGVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-13(2)9-18-7-11(14)5-16-3-4-17-6-12(15)8-19-10-13/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol?
10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol has a molecular weight of 278.35 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-1,4,8,12-tetraoxacyclopentadecane-6,14-diol is sourced from PubChem (CID 15474960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).